SCHEMBL13899528

SCHEMBL13899528

COC(=O)CN(C(=O)Oc1ccc(OC)cc1)[C@@H](CC(C)C)c1ccc(OCc2noc(-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.47
PPARA Q07869 15/20 0.47
PPARD Q03181 11/20 0.47
FFAR1 O14842 1/20 0.46
SMPD1 P17405 2/20 0.42
HDAC1 Q13547 1/20 0.41
S1PR1 P21453 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13899527 0.94 FFAR1 (0.49) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL13899531 0.90 PPARG (0.50) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL13899198 0.83 PPARA (0.54) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL10184595 0.82 PPARA (0.54) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL10184378 0.80 PPARG (0.50) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL13899475 0.80 PPARG (0.50) PPARGPPARAPPARDFFAR1SMPD1
SCHEMBL13899289 0.80 PPARG (0.39) PPARGPPARAFFAR1
SCHEMBL13899504 0.78 ALDH1A1 (0.37) PPARG
SCHEMBL13899524 0.78 ALDH1A1 (0.37) PPARG
SCHEMBL10185914 0.76 FFAR1 (0.56) PPARGPPARAPPARDFFAR1SMPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed